N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine

C18H24N2O — CID 65376750

IUPACN-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-13(2)21-17-9-5-7-15(11-17)18(12-19)20-16-8-4-6-14(3)10-16/h4-11,13,18,20H,12,19H2,1-3H3
InChIKeyVKBKKLGIMJKBAW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.89
Rot. Bonds6

About N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine

N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 65376750) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID65376750
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCc1cccc(NC(CN)c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H24N2O/c1-13(2)21-17-9-5-7-15(11-17)18(12-19)20-16-8-4-6-14(3)10-16/h4-11,13,18,20H,12,19H2,1-3H3
InChIKeyVKBKKLGIMJKBAW-UHFFFAOYSA-N
XLogP3.89
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-phenylethane-1,2-diamine
CID 65380714
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191
3-[[2-amino-1-(3-propan-2-yloxyphenyl)ethyl]amino]propan-1-ol
CID 65378876
1-[4-(dimethylamino)phenyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377987
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
2-(3-chloroanilino)-2-(3-propan-2-yloxyphenyl)ethanol
CID 61212830
N-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65377988
1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65376503
2-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
1-(2,3-difluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 65377575
N,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
N-(4-bromo-3-chlorophenyl)-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 107619711

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 65376750) is N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is Cc1cccc(NC(CN)c2cccc(OC(C)C)c2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is VKBKKLGIMJKBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)21-17-9-5-7-15(11-17)18(12-19)20-16-8-4-6-14(3)10-16/h4-11,13,18,20H,12,19H2,1-3H3.
What are the key properties of N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine?
N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-(3-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65376750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).